N'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide

C11H13ClIN3 — CID 122095649

IUPACN'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide
SMILESN/C(=N\Cc1ccc(Cl)cc1I)N1CCC1
InChIInChI=1S/C11H13ClIN3/c12-9-3-2-8(10(13)6-9)7-15-11(14)16-4-1-5-16/h2-3,6H,1,4-5,7H2,(H2,14,15)
InChIKeyAQNXSWBHCHLVFE-UHFFFAOYSA-N
MW349.60 g/mol
LogP2.46
Rot. Bonds2

About N'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide

N'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide (PubChem CID 122095649) has the molecular formula C11H13ClIN3 and a molecular weight of 349.60 g/mol. Its IUPAC name is N'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide
PubChem CID122095649
Molecular FormulaC11H13ClIN3
Molecular Weight349.60 g/mol
Exact Mass348.98
IUPAC NameN'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide
SMILESN/C(=N\Cc1ccc(Cl)cc1I)N1CCC1
InChIInChI=1S/C11H13ClIN3/c12-9-3-2-8(10(13)6-9)7-15-11(14)16-4-1-5-16/h2-3,6H,1,4-5,7H2,(H2,14,15)
InChIKeyAQNXSWBHCHLVFE-UHFFFAOYSA-N
XLogP2.46
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.60
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chloro-2-iodophenyl)methyl]-1-cyclobutylguanidine
CID 122095651
N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide
CID 75493910
N'-[(4-chloro-2-methoxyphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111806792
N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide
CID 122097017
2-[(4-chloro-2-iodophenyl)methyl]-1,1,3,3-tetramethylguanidine
CID 122082170
N'-[(2,5-dibromophenyl)methyl]azetidine-1-carboximidamide
CID 122095446
N'-[(3-chloro-4-fluorophenyl)methyl]piperidine-1-carboximidamide
CID 111045730
N'-[(5-chloro-2-pyridinyl)methyl]azepane-1-carboximidamide
CID 99851350
N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111077355
N'-[2-[(4-chloro-2-fluorophenyl)sulfonylamino]ethyl]azepane-1-carboximidamide
CID 120727925
N'-[2-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-carboximidamide
CID 122095345
N'-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111053986

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide?
The IUPAC name of N'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide (CID 122095649) is N'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide.
What is the SMILES notation for N'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide?
The canonical SMILES for N'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide is N/C(=N\Cc1ccc(Cl)cc1I)N1CCC1.
What is the InChIKey of N'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide?
The InChIKey is AQNXSWBHCHLVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClIN3/c12-9-3-2-8(10(13)6-9)7-15-11(14)16-4-1-5-16/h2-3,6H,1,4-5,7H2,(H2,14,15).
What are the key properties of N'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide?
N'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide has a molecular weight of 349.60 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chloro-2-iodophenyl)methyl]azetidine-1-carboximidamide is sourced from PubChem (CID 122095649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).